Barcelona, January 27th, 2023 – Pharmacelera, the leading provider of computational tools for hit discovery, and Welab, the leading drug discovery and development platform is
Barcelona, Spain, and Kyiv, Ukraine, 15 December 2022. Pharmacelera, the leading provider of computational tools for hit discovery, and Enamine, the developer of REAL Database
By Enric Gibert On May 30th 2022, the Top500 High-Performance Computing (HPC) list revealed the first exa-scale HPC system ever constructed: the Frontier system at
By Enric Gibert In one of my trips to Boston, I found a very good introduction to neural networks and deep learning. The book, whose
By Giorgia Zaetta There are more than six hundred and seventy-five duodecillion possible chemical structures, but only a part of them, approximately 1060, are potential
By Ricardo Garcia The intersection of quantum computation and chemistry Many problems in chemistry have to do with quantum nature of electrons. Many of the
PharmScreen 2022.06 has been released! This new version includes some new and cool features like: Library prefiltering based on molecular properties: now you can prefilter
Sometimes, the solution space in search and optimization problems cannot be expressed as a tree / graph of options (see previous AI post) or it
DyNAbind and Pharmacelera are happy to announce a joint scientific collaboration in the fields of DNA-Encoded Libraries (DEL) and Artificial Intelligence (AI) for drug discovery.
As we explained in our previous post, Artificial Intelligence (AI) is more than Machine Learning (ML). Artificial Intelligence (AI) techniques include algorithms for finding optimal
By Enric Gibert – Feb. 24, 2022 Although the concepts of Artificial Intelligence (AI) and Machine Learning (ML) are used interchangeably, they are not the
By Silvia Illa – Oct. 26, 2021 It’s been almost a year since DeepMind’s AlphaFold algorithm won the CASP14 (Critical Assessment of Protein Structure) protein-structure-prediction
Istituto Italiano di Tecnologia (IIT) and Pharmacelera announce that they will collaborate in the field of drug discovery. In particular, the Ligand-based tool PharmScreen will
The summer season has already started and, we would like to share with you what happened in Pharmacelera during the first half of 2021: new
By Alessandro Deplano – Jan. 9, 2021 Preselecting the final compound after a virtual HTS campaign is not an easy task. Once the screening tool
By Giorgia Zaetta – May. 19, 2021 G protein-coupled receptors (GPCRs), also known as heptahelical or 7-transmembrane receptors, are the largest family of membrane receptors.
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